2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid

C7H13N3O4 — CID 6992691

IUPAC2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid
SMILESNC(=O)CC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1
InChIKeyJEFZIKRIDLHOIF-BYPYZUCNSA-N
MW203.20 g/mol
LogP-2.22
Rot. Bonds6

About 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid

2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid (PubChem CID 6992691) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid
PubChem CID6992691
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid
SMILESNC(=O)CC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1
InChIKeyJEFZIKRIDLHOIF-BYPYZUCNSA-N
XLogP-2.22
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid (CID 6992691) is 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid is NC(=O)CC[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid?
The InChIKey is JEFZIKRIDLHOIF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid?
2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid has a molecular weight of 203.20 g/mol, XLogP of -2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 6992691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).