(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid

C10H18N4O5 — CID 18647841

IUPAC(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
SMILESC[C@H](NC(=O)CN)C(=O)N[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N4O5/c1-5(13-7(15)4-11)10(19)14-6(9(12)18)2-3-8(16)17/h5-6H,2-4,11H2,1H3,(H2,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6+/m0/s1
InChIKeyFDNMQOHHWQQGKF-NTSWFWBYSA-N
MW274.28 g/mol
LogP-2.72
Rot. Bonds8

About (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid

(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid (PubChem CID 18647841) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
PubChem CID18647841
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
SMILESC[C@H](NC(=O)CN)C(=O)N[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C10H18N4O5/c1-5(13-7(15)4-11)10(19)14-6(9(12)18)2-3-8(16)17/h5-6H,2-4,11H2,1H3,(H2,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6+/m0/s1
InChIKeyFDNMQOHHWQQGKF-NTSWFWBYSA-N
XLogP-2.72
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(4R)-5-amino-4-[[(2S)-2-(hexanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 101061468
2-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoylamino]pentanedioic acid
CID 18492238
(4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxoundecanoylamino)propanoyl]amino]pentanoic acid
CID 10453547
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid
CID 51037516
4-[2-[(2-aminoacetyl)amino]propanoylamino]-5-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
CID 18484853
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
2-[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]propanoylamino]pentanedioic acid
CID 18489077
2-[[4-amino-2-[2-[(2-aminoacetyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 18484799
5-amino-2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18485128
2-[[5-amino-2-[2-[(2-aminoacetyl)amino]propanoylamino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 23054998
2-[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]propanoylamino]butanedioic acid
CID 18487130
3-[(2-aminoacetyl)amino]-4-[[5-amino-1-(1-carboxyethylamino)-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18486056

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid (CID 18647841) is (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid is C[C@H](NC(=O)CN)C(=O)N[C@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid?
The InChIKey is FDNMQOHHWQQGKF-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-5(13-7(15)4-11)10(19)14-6(9(12)18)2-3-8(16)17/h5-6H,2-4,11H2,1H3,(H2,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6+/m0/s1.
What are the key properties of (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid?
(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid has a molecular weight of 274.28 g/mol, XLogP of -2.72, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18647841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).