N-[(4S)-4-amino-4-carboxybutyl]carbamate

C6H11N2O4- — CID 153456088

IUPACN-[(4S)-4-amino-4-carboxybutyl]carbamate
SMILESN[C@@H](CCCNC(=O)[O-])C(=O)O
InChIInChI=1S/C6H12N2O4/c7-4(5(9)10)2-1-3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/p-1/t4-/m0/s1
InChIKeyMTZAWKCEDIEEPL-BYPYZUCNSA-M
MW175.16 g/mol
LogP-1.89
Rot. Bonds5

About N-[(4S)-4-amino-4-carboxybutyl]carbamate

N-[(4S)-4-amino-4-carboxybutyl]carbamate (PubChem CID 153456088) has the molecular formula C6H11N2O4- and a molecular weight of 175.16 g/mol. Its IUPAC name is N-[(4S)-4-amino-4-carboxybutyl]carbamate.

Molecular Properties

Compound NameN-[(4S)-4-amino-4-carboxybutyl]carbamate
PubChem CID153456088
Molecular FormulaC6H11N2O4-
Molecular Weight175.16 g/mol
Exact Mass175.07
IUPAC NameN-[(4S)-4-amino-4-carboxybutyl]carbamate
SMILESN[C@@H](CCCNC(=O)[O-])C(=O)O
InChIInChI=1S/C6H12N2O4/c7-4(5(9)10)2-1-3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/p-1/t4-/m0/s1
InChIKeyMTZAWKCEDIEEPL-BYPYZUCNSA-M
XLogP-1.89
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
CID 118054974
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoic acid
CID 135409365
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid;nitric acid
CID 131884668

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-amino-4-carboxybutyl]carbamate?
The IUPAC name of N-[(4S)-4-amino-4-carboxybutyl]carbamate (CID 153456088) is N-[(4S)-4-amino-4-carboxybutyl]carbamate.
What is the SMILES notation for N-[(4S)-4-amino-4-carboxybutyl]carbamate?
The canonical SMILES for N-[(4S)-4-amino-4-carboxybutyl]carbamate is N[C@@H](CCCNC(=O)[O-])C(=O)O.
What is the InChIKey of N-[(4S)-4-amino-4-carboxybutyl]carbamate?
The InChIKey is MTZAWKCEDIEEPL-BYPYZUCNSA-M. The full InChI is InChI=1S/C6H12N2O4/c7-4(5(9)10)2-1-3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/p-1/t4-/m0/s1.
What are the key properties of N-[(4S)-4-amino-4-carboxybutyl]carbamate?
N-[(4S)-4-amino-4-carboxybutyl]carbamate has a molecular weight of 175.16 g/mol, XLogP of -1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-amino-4-carboxybutyl]carbamate is sourced from PubChem (CID 153456088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).