(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid

C10H18N4O6 — CID 175924824

IUPAC(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid
SMILESNC[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N4O6/c11-3-5(12)9(18)13-4-7(15)14-6(10(19)20)1-2-8(16)17/h5-6H,1-4,11-12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t5-,6+/m0/s1
InChIKeySGJBSSLGRAOTIY-NTSWFWBYSA-N
MW290.28 g/mol
LogP-3.18
Rot. Bonds9

About (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid

(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid (PubChem CID 175924824) has the molecular formula C10H18N4O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid
PubChem CID175924824
Molecular FormulaC10H18N4O6
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid
SMILESNC[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N4O6/c11-3-5(12)9(18)13-4-7(15)14-6(10(19)20)1-2-8(16)17/h5-6H,1-4,11-12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t5-,6+/m0/s1
InChIKeySGJBSSLGRAOTIY-NTSWFWBYSA-N
XLogP-3.18
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 5-3.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid with MolForge

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Related Compounds

2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]acetyl]amino]pentanedioic acid
CID 18249442
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18265337
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586
(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]butanedioic acid
CID 25167013
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
(4S)-4-amino-5-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 145455375
2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid
CID 18252634
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18487621
2-[[4-carboxy-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]butanoyl]amino]butanedioic acid
CID 18305183
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18479863
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18485681
4-amino-5-[[2-[[4-carboxy-1-(1-carboxyethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid?
The IUPAC name of (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid (CID 175924824) is (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid is NC[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid?
The InChIKey is SGJBSSLGRAOTIY-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H18N4O6/c11-3-5(12)9(18)13-4-7(15)14-6(10(19)20)1-2-8(16)17/h5-6H,1-4,11-12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t5-,6+/m0/s1.
What are the key properties of (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid?
(2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid has a molecular weight of 290.28 g/mol, XLogP of -3.18, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[(2S)-2,3-diaminopropanoyl]amino]acetyl]amino]pentanedioic acid is sourced from PubChem (CID 175924824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).