2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid

C10H16N2O3 — CID 81168791

IUPAC2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid
SMILESNC1(C(=O)NC(C(=O)O)C2CC2)CCC1
InChIInChI=1S/C10H16N2O3/c11-10(4-1-5-10)9(15)12-7(8(13)14)6-2-3-6/h6-7H,1-5,11H2,(H,12,15)(H,13,14)
InChIKeyHOYKOAXKRRCLAS-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.15
Rot. Bonds4

About 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid

2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 81168791) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid
PubChem CID81168791
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid
SMILESNC1(C(=O)NC(C(=O)O)C2CC2)CCC1
InChIInChI=1S/C10H16N2O3/c11-10(4-1-5-10)9(15)12-7(8(13)14)6-2-3-6/h6-7H,1-5,11H2,(H,12,15)(H,13,14)
InChIKeyHOYKOAXKRRCLAS-UHFFFAOYSA-N
XLogP-0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 115439396
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142263
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119213587
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
CID 64824819
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid (CID 81168791) is 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid is NC1(C(=O)NC(C(=O)O)C2CC2)CCC1.
What is the InChIKey of 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is HOYKOAXKRRCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-10(4-1-5-10)9(15)12-7(8(13)14)6-2-3-6/h6-7H,1-5,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid?
2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutanecarbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 81168791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).