(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid

C11H20N2O4 — CID 114005220

IUPAC(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(CNC1CCCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-6-5-9(11(16)17)13-10(15)7-12-8-3-1-2-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyRYLSMHQRXWWUCN-VIFPVBQESA-N
MW244.29 g/mol
LogP-0.53
Rot. Bonds7

About (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid

(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 114005220) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID114005220
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(CNC1CCCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-6-5-9(11(16)17)13-10(15)7-12-8-3-1-2-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyRYLSMHQRXWWUCN-VIFPVBQESA-N
XLogP-0.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
CID 61160783
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2S)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-4-hydroxybutanoic acid
CID 107822655
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-4-amino-2-[[2-(cyclopropylamino)acetyl]amino]-4-oxobutanoic acid
CID 107824702
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
2-(cyclopentylamino)-N-(5-methylhexan-2-yl)acetamide
CID 54917648
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid (CID 114005220) is (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid is O=C(CNC1CCCC1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is RYLSMHQRXWWUCN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c14-6-5-9(11(16)17)13-10(15)7-12-8-3-1-2-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid?
(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).