2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid

C8H14N2O4 — CID 61181267

IUPAC2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCC1CC1)NC(CO)C(=O)O
InChIInChI=1S/C8H14N2O4/c11-4-6(7(12)13)10-8(14)9-3-5-1-2-5/h5-6,11H,1-4H2,(H,12,13)(H2,9,10,14)
InChIKeyHSXJJXMMEAXSMM-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.86
Rot. Bonds5

About 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid

2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 61181267) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID61181267
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCC1CC1)NC(CO)C(=O)O
InChIInChI=1S/C8H14N2O4/c11-4-6(7(12)13)10-8(14)9-3-5-1-2-5/h5-6,11H,1-4H2,(H,12,13)(H2,9,10,14)
InChIKeyHSXJJXMMEAXSMM-UHFFFAOYSA-N
XLogP-0.86
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
2-(thian-4-ylmethylcarbamoylamino)butanedioic acid
CID 113488100
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 79350592
(2S)-4-amino-2-(cyclobutylmethylcarbamoylamino)-4-oxobutanoic acid
CID 63714418
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
(2R)-2-[(4-methylcyclohexyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910301

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid (CID 61181267) is 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid is O=C(NCC1CC1)NC(CO)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is HSXJJXMMEAXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-4-6(7(12)13)10-8(14)9-3-5-1-2-5/h5-6,11H,1-4H2,(H,12,13)(H2,9,10,14).
What are the key properties of 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid?
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 61181267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).