(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid

C10H20N4O5 — CID 175763034

IUPAC(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCN)NC(=O)CN)C(=O)O
InChIInChI=1S/C10H20N4O5/c1-5(15)8(10(18)19)14-9(17)6(2-3-11)13-7(16)4-12/h5-6,8,15H,2-4,11-12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t5-,6+,8+/m1/s1
InChIKeyYBCXOBAWXSFWJA-CHKWXVPMSA-N
MW276.29 g/mol
LogP-3.27
Rot. Bonds8

About (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid (PubChem CID 175763034) has the molecular formula C10H20N4O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
PubChem CID175763034
Molecular FormulaC10H20N4O5
Molecular Weight276.29 g/mol
Exact Mass276.14
IUPAC Name(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCN)NC(=O)CN)C(=O)O
InChIInChI=1S/C10H20N4O5/c1-5(15)8(10(18)19)14-9(17)6(2-3-11)13-7(16)4-12/h5-6,8,15H,2-4,11-12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t5-,6+,8+/m1/s1
InChIKeyYBCXOBAWXSFWJA-CHKWXVPMSA-N
XLogP-3.27
TPSA167.77 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.29
LogP ≤ 5-3.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid with MolForge

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Related Compounds

(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 145455650
2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
CID 18491271
2-[[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid
CID 18489166
2-[[5-amino-2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
CID 18489205
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18490892
4-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-5-[(1-carboxy-2-hydroxypropyl)amino]-5-oxopentanoic acid
CID 18492349
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid
CID 18488777
2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid
CID 18490693
2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
CID 18491264
2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
CID 18486659
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 44512372

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid (CID 175763034) is (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)[C@H](CCN)NC(=O)CN)C(=O)O.
What is the InChIKey of (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid?
The InChIKey is YBCXOBAWXSFWJA-CHKWXVPMSA-N. The full InChI is InChI=1S/C10H20N4O5/c1-5(15)8(10(18)19)14-9(17)6(2-3-11)13-7(16)4-12/h5-6,8,15H,2-4,11-12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t5-,6+,8+/m1/s1.
What are the key properties of (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 276.29 g/mol, XLogP of -3.27, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 175763034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).