(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid

C7H14N4O4 — CID 101417077

IUPAC(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
SMILESNC(=O)NC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N4O4/c8-4(5(12)13)2-1-3-10-7(15)11-6(9)14/h4H,1-3,8H2,(H,12,13)(H4,9,10,11,14,15)/t4-/m0/s1
InChIKeyRBCZRWHHVQLICK-BYPYZUCNSA-N
MW218.21 g/mol
LogP-1.44
Rot. Bonds5

About (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid

(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid (PubChem CID 101417077) has the molecular formula C7H14N4O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
PubChem CID101417077
Molecular FormulaC7H14N4O4
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
SMILESNC(=O)NC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N4O4/c8-4(5(12)13)2-1-3-10-7(15)11-6(9)14/h4H,1-3,8H2,(H,12,13)(H4,9,10,11,14,15)/t4-/m0/s1
InChIKeyRBCZRWHHVQLICK-BYPYZUCNSA-N
XLogP-1.44
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
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
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
bis(2-amino-5-(carbamoylamino)pentanoic acid);2-hydroxybutanedioic acid
CID 46189968
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
CID 46932128
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid (CID 101417077) is (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid is NC(=O)NC(=O)NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid?
The InChIKey is RBCZRWHHVQLICK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H14N4O4/c8-4(5(12)13)2-1-3-10-7(15)11-6(9)14/h4H,1-3,8H2,(H,12,13)(H4,9,10,11,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid?
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.44, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 101417077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).