2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane

C10H23N3O3 — CID 143300236

IUPAC2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
SMILESCC(C)C.C[C@H](N)C(N)C(=O)NCC(=O)O
InChIInChI=1S/C6H13N3O3.C4H10/c1-3(7)5(8)6(12)9-2-4(10)11;1-4(2)3/h3,5H,2,7-8H2,1H3,(H,9,12)(H,10,11);4H,1-3H3/t3-,5?;/m0./s1
InChIKeyMJUCCLXBNGPUJR-YJHPIBAJSA-N
MW233.31 g/mol
LogP-0.48
Rot. Bonds4

About 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane

2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane (PubChem CID 143300236) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane.

Molecular Properties

Compound Name2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
PubChem CID143300236
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
SMILESCC(C)C.C[C@H](N)C(N)C(=O)NCC(=O)O
InChIInChI=1S/C6H13N3O3.C4H10/c1-3(7)5(8)6(12)9-2-4(10)11;1-4(2)3/h3,5H,2,7-8H2,1H3,(H,9,12)(H,10,11);4H,1-3H3/t3-,5?;/m0./s1
InChIKeyMJUCCLXBNGPUJR-YJHPIBAJSA-N
XLogP-0.48
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetic acid
CID 18745403
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 18297703
2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 100953040
2,3-diamino-N-benzylbutanamide
CID 143155055
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
CID 175250934

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane?
The IUPAC name of 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane (CID 143300236) is 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane.
What is the SMILES notation for 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane?
The canonical SMILES for 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane is CC(C)C.C[C@H](N)C(N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane?
The InChIKey is MJUCCLXBNGPUJR-YJHPIBAJSA-N. The full InChI is InChI=1S/C6H13N3O3.C4H10/c1-3(7)5(8)6(12)9-2-4(10)11;1-4(2)3/h3,5H,2,7-8H2,1H3,(H,9,12)(H,10,11);4H,1-3H3/t3-,5?;/m0./s1.
What are the key properties of 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane?
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane has a molecular weight of 233.31 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane is sourced from PubChem (CID 143300236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).