2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid

C18H25N3O4 — CID 122073452

IUPAC2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCOc1ccccc1NC(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C18H25N3O4/c1-25-16-5-3-2-4-15(16)20-18(24)19-13-8-14(9-13)21(11-17(22)23)10-12-6-7-12/h2-5,12-14H,6-11H2,1H3,(H,22,23)(H2,19,20,24)
InChIKeyIISWQHNYMBACHT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.14
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122073452) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122073452
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCOc1ccccc1NC(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C18H25N3O4/c1-25-16-5-3-2-4-15(16)20-18(24)19-13-8-14(9-13)21(11-17(22)23)10-12-6-7-12/h2-5,12-14H,6-11H2,1H3,(H,22,23)(H2,19,20,24)
InChIKeyIISWQHNYMBACHT-UHFFFAOYSA-N
XLogP2.14
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-[(2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122087570
2-[cyclopropylmethyl-[3-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091846
2-[cyclopropylmethyl-[3-[(3,4-dimethoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073765
2-[cyclopropylmethyl-[3-[(5-fluoro-2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122087851
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
2-[cyclopropylmethyl-[3-[(1-methyl-5-phenylpyrazol-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093528
2-[cyclopropylmethyl-[3-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077967
2-[[3-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122085038
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092810

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122073452) is 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid is COc1ccccc1NC(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is IISWQHNYMBACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-25-16-5-3-2-4-15(16)20-18(24)19-13-8-14(9-13)21(11-17(22)23)10-12-6-7-12/h2-5,12-14H,6-11H2,1H3,(H,22,23)(H2,19,20,24).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 347.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122073452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).