2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C19H31N5O3 — CID 122088862

IUPAC2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCC(C)n1nc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1C
InChIInChI=1S/C19H31N5O3/c1-4-12(2)24-13(3)7-17(22-24)21-19(27)20-15-8-16(9-15)23(11-18(25)26)10-14-5-6-14/h7,12,14-16H,4-6,8-11H2,1-3H3,(H,25,26)(H2,20,21,22,27)
InChIKeyQQRUSGRQCLXVAA-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.61
Rot. Bonds9

About 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122088862) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122088862
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCC(C)n1nc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1C
InChIInChI=1S/C19H31N5O3/c1-4-12(2)24-13(3)7-17(22-24)21-19(27)20-15-8-16(9-15)23(11-18(25)26)10-14-5-6-14/h7,12,14-16H,4-6,8-11H2,1-3H3,(H,25,26)(H2,20,21,22,27)
InChIKeyQQRUSGRQCLXVAA-UHFFFAOYSA-N
XLogP2.61
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514
2-[cyclopropylmethyl-[3-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091846
2-[cyclopropylmethyl-[3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074783
2-[cyclopropylmethyl-[3-[(3,4-dimethoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073765
2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094218
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086987
2-[ethyl-[3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122093398
2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091535
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[cyclopropylmethyl-[3-[[3-(difluoromethoxy)-4-methylphenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084759

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122088862) is 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is CCC(C)n1nc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1C.
What is the InChIKey of 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is QQRUSGRQCLXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-4-12(2)24-13(3)7-17(22-24)21-19(27)20-15-8-16(9-15)23(11-18(25)26)10-14-5-6-14/h7,12,14-16H,4-6,8-11H2,1-3H3,(H,25,26)(H2,20,21,22,27).
What are the key properties of 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 377.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122088862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).