2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

C12H18N4O3 — CID 115448781

IUPAC2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)C2(CN)CCC2)C(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-16-6-8(5-14-16)9(10(17)18)15-11(19)12(7-13)3-2-4-12/h5-6,9H,2-4,7,13H2,1H3,(H,15,19)(H,17,18)
InChIKeyXISKRQWCPAQFDD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.21
Rot. Bonds5

About 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115448781) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115448781
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)C2(CN)CCC2)C(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-16-6-8(5-14-16)9(10(17)18)15-11(19)12(7-13)3-2-4-12/h5-6,9H,2-4,7,13H2,1H3,(H,15,19)(H,17,18)
InChIKeyXISKRQWCPAQFDD-UHFFFAOYSA-N
XLogP-0.21
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113313032
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288700
2-(1-methylpyrazol-4-yl)-2-[(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 115288272
2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-2-carbonyl)amino]acetic acid
CID 115288702
2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-[(5-amino-2-methylpentanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 112547719
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 103930364
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
CID 113279547
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115448781) is 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NC(=O)C2(CN)CCC2)C(=O)O)cn1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is XISKRQWCPAQFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16-6-8(5-14-16)9(10(17)18)15-11(19)12(7-13)3-2-4-12/h5-6,9H,2-4,7,13H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 266.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115448781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).