[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid

C6H10N2O4 — CID 162498855

IUPAC[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid
SMILESNC(=O)CC[C@@H](C=O)NC(=O)O
InChIInChI=1S/C6H10N2O4/c7-5(10)2-1-4(3-9)8-6(11)12/h3-4,8H,1-2H2,(H2,7,10)(H,11,12)/t4-/m0/s1
InChIKeyBYTMAQWSCPFTOR-BYPYZUCNSA-N
MW174.16 g/mol
LogP-0.91
Rot. Bonds5

About [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid

[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid (PubChem CID 162498855) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid
PubChem CID162498855
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid
SMILESNC(=O)CC[C@@H](C=O)NC(=O)O
InChIInChI=1S/C6H10N2O4/c7-5(10)2-1-4(3-9)8-6(11)12/h3-4,8H,1-2H2,(H2,7,10)(H,11,12)/t4-/m0/s1
InChIKeyBYTMAQWSCPFTOR-BYPYZUCNSA-N
XLogP-0.91
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

18-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoic acid
CID 88901172
(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
CID 123711224
(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
CID 123178673
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(4R)-5-oxo-4-(tritylamino)pentanamide
CID 59270312
(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
CID 122462104
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
4-(1,5-dioxopentan-2-ylamino)butanamide
CID 169158983
5-formyl-6-oxohexanamide
CID 140570423
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid (CID 162498855) is [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid is NC(=O)CC[C@@H](C=O)NC(=O)O.
What is the InChIKey of [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid?
The InChIKey is BYTMAQWSCPFTOR-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-5(10)2-1-4(3-9)8-6(11)12/h3-4,8H,1-2H2,(H2,7,10)(H,11,12)/t4-/m0/s1.
What are the key properties of [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid?
[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid has a molecular weight of 174.16 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid is sourced from PubChem (CID 162498855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).