[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid

C7H14N2O3 — CID 139812366

IUPAC[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-4(2)5(8)6(10)9-7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKeyDMPXPCNYJZSSJH-WHFBIAKZSA-N
MW174.20 g/mol
LogP0.15
Rot. Bonds3

About [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid

[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid (PubChem CID 139812366) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid
PubChem CID139812366
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NC(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-4(2)5(8)6(10)9-7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKeyDMPXPCNYJZSSJH-WHFBIAKZSA-N
XLogP0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
2-methylbutanoylcarbamic acid
CID 87928192
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
(2S,3S)-2-amino-N',N',3-trimethylpentanehydrazide
CID 83021185
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
2-amino-3-methylpentanoic acid;azane
CID 87185080

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid?
The IUPAC name of [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid (CID 139812366) is [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid.
What is the SMILES notation for [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid?
The canonical SMILES for [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid is CC[C@H](C)[C@H](N)C(=O)NC(=O)O.
What is the InChIKey of [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid?
The InChIKey is DMPXPCNYJZSSJH-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-4(2)5(8)6(10)9-7(11)12/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m0/s1.
What are the key properties of [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid?
[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid has a molecular weight of 174.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid is sourced from PubChem (CID 139812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).