(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid

C10H18N2O4 — CID 107824929

IUPAC(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c13-5-3-8(10(15)16)12-9(14)7-2-1-4-11-6-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m0/s1
InChIKeyWKERFSNTEJNUFV-YUMQZZPRSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid

(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 107824929) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
PubChem CID107824929
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c13-5-3-8(10(15)16)12-9(14)7-2-1-4-11-6-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m0/s1
InChIKeyWKERFSNTEJNUFV-YUMQZZPRSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid (CID 107824929) is (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid is O=C(N[C@@H](CCO)C(=O)O)[C@H]1CCCNC1.
What is the InChIKey of (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is WKERFSNTEJNUFV-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-5-3-8(10(15)16)12-9(14)7-2-1-4-11-6-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107824929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).