(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid

C11H20N2O4 — CID 107826145

IUPAC(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NCC1CCCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-6-5-9(10(15)16)13-11(17)12-7-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m0/s1
InChIKeyACAAPPTZEFOVDV-VIFPVBQESA-N
MW244.29 g/mol
LogP0.31
Rot. Bonds6

About (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid

(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 107826145) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID107826145
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NCC1CCCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-6-5-9(10(15)16)13-11(17)12-7-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m0/s1
InChIKeyACAAPPTZEFOVDV-VIFPVBQESA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
(2S)-4-amino-2-(cyclobutylmethylcarbamoylamino)-4-oxobutanoic acid
CID 63714418
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107829067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid (CID 107826145) is (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid is O=C(NCC1CCCC1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is ACAAPPTZEFOVDV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c14-6-5-9(10(15)16)13-11(17)12-7-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid?
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107826145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).