5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid

C11H18N4O7 — CID 88729718

IUPAC5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid
SMILESNCC(=O)N(C(=O)C(N)CC(=O)O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O7/c12-4-8(17)15(10(20)5(13)3-9(18)19)6(11(21)22)1-2-7(14)16/h5-6H,1-4,12-13H2,(H2,14,16)(H,18,19)(H,21,22)
InChIKeyZIWRLCMPKFTAIG-UHFFFAOYSA-N
MW318.29 g/mol
LogP-3.18
Rot. Bonds9

About 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid

5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid (PubChem CID 88729718) has the molecular formula C11H18N4O7 and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid
PubChem CID88729718
Molecular FormulaC11H18N4O7
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid
SMILESNCC(=O)N(C(=O)C(N)CC(=O)O)C(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O7/c12-4-8(17)15(10(20)5(13)3-9(18)19)6(11(21)22)1-2-7(14)16/h5-6H,1-4,12-13H2,(H2,14,16)(H,18,19)(H,21,22)
InChIKeyZIWRLCMPKFTAIG-UHFFFAOYSA-N
XLogP-3.18
TPSA207.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-3.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[acetyl-(2-amino-3-carboxypropanoyl)amino]pentanedioic acid
CID 11989787
2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
CID 19775744
(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]-iodoamino]pentanedioic acid
CID 175868067
2-[(2-amino-4-carboxybutanoyl)-(2,6-diaminohexanoyl)amino]butanedioic acid
CID 175480965
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
CID 18605764
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
CID 175765427
CID 175765427

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid (CID 88729718) is 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid is NCC(=O)N(C(=O)C(N)CC(=O)O)C(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid?
The InChIKey is ZIWRLCMPKFTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O7/c12-4-8(17)15(10(20)5(13)3-9(18)19)6(11(21)22)1-2-7(14)16/h5-6H,1-4,12-13H2,(H2,14,16)(H,18,19)(H,21,22).
What are the key properties of 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid has a molecular weight of 318.29 g/mol, XLogP of -3.18, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 88729718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).