2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid

C10H18N4O5 — CID 71407691

IUPAC2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(9(18)12-4-8(16)17)14-10(19)6(2)13-7(15)3-11/h5-6H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6-/m0/s1
InChIKeyASRTVCQNVSRNCD-WDSKDSINSA-N
MW274.28 g/mol
LogP-2.84
Rot. Bonds7

About 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid (PubChem CID 71407691) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid
PubChem CID71407691
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-5(9(18)12-4-8(16)17)14-10(19)6(2)13-7(15)3-11/h5-6H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6-/m0/s1
InChIKeyASRTVCQNVSRNCD-WDSKDSINSA-N
XLogP-2.84
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid (CID 71407691) is 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid is C[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid?
The InChIKey is ASRTVCQNVSRNCD-WDSKDSINSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-5(9(18)12-4-8(16)17)14-10(19)6(2)13-7(15)3-11/h5-6H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,14,19)(H,16,17)/t5-,6-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of -2.84, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 71407691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).