5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid

C9H18N4O4 — CID 175602366

IUPAC5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
SMILESCCCN(NC(N)=O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H18N4O4/c1-2-5-13(12-9(11)17)6(8(15)16)3-4-7(10)14/h6H,2-5H2,1H3,(H2,10,14)(H,15,16)(H3,11,12,17)
InChIKeyXHZCFSHBNXZPGA-UHFFFAOYSA-N
MW246.27 g/mol
LogP-1.00
Rot. Bonds8

About 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid

5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid (PubChem CID 175602366) has the molecular formula C9H18N4O4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
PubChem CID175602366
Molecular FormulaC9H18N4O4
Molecular Weight246.27 g/mol
Exact Mass246.13
IUPAC Name5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
SMILESCCCN(NC(N)=O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H18N4O4/c1-2-5-13(12-9(11)17)6(8(15)16)3-4-7(10)14/h6H,2-5H2,1H3,(H2,10,14)(H,15,16)(H3,11,12,17)
InChIKeyXHZCFSHBNXZPGA-UHFFFAOYSA-N
XLogP-1.00
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-[(1,1-dihydroxyethylamino)-propylamino]-5-oxopentanoic acid
CID 88599002
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
CID 134249161
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
(2S)-5-amino-2-[bis(dodecanoylamino)amino]-5-oxopentanoic acid
CID 135284923
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
CID 175765431
CID 175765431
CID 175765427
CID 175765427
(2S)-6-amino-2-[[(2S)-6-amino-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]-2-dodecylhydrazinyl]hexanoyl]amino]hexanoic acid
CID 175360444
5-amino-2-[iodo-[2-(iodoamino)propanoyl]amino]-5-oxopentanoic acid
CID 166769855
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid (CID 175602366) is 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid is CCCN(NC(N)=O)C(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid?
The InChIKey is XHZCFSHBNXZPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4/c1-2-5-13(12-9(11)17)6(8(15)16)3-4-7(10)14/h6H,2-5H2,1H3,(H2,10,14)(H,15,16)(H3,11,12,17).
What are the key properties of 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid?
5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid has a molecular weight of 246.27 g/mol, XLogP of -1.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid is sourced from PubChem (CID 175602366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).