(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid

C12H26N4O5 — CID 159030403

IUPAC(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
SMILESCC(=O)N[C@@H](CCCN)C(=O)O.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3.C5H12N2O2/c1-5(10)9-6(7(11)12)3-2-4-8;6-3-1-2-4(7)5(8)9/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12);4H,1-3,6-7H2,(H,8,9)/t6-;4-/m00/s1
InChIKeyJUUUMFUBTHXSEN-FPAZSGHZSA-N
MW306.36 g/mol
LogP-1.55
Rot. Bonds9

About (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid

(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid (PubChem CID 159030403) has the molecular formula C12H26N4O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
PubChem CID159030403
Molecular FormulaC12H26N4O5
Molecular Weight306.36 g/mol
Exact Mass306.19
IUPAC Name(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
SMILESCC(=O)N[C@@H](CCCN)C(=O)O.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3.C5H12N2O2/c1-5(10)9-6(7(11)12)3-2-4-8;6-3-1-2-4(7)5(8)9/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12);4H,1-3,6-7H2,(H,8,9)/t6-;4-/m00/s1
InChIKeyJUUUMFUBTHXSEN-FPAZSGHZSA-N
XLogP-1.55
TPSA181.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
zinc 2,5-diaminopentanoic acid
CID 56838280
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23191188
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
carbamic acid;2,5-diaminopentanoic acid
CID 22153959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid?
The IUPAC name of (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid (CID 159030403) is (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid.
What is the SMILES notation for (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid?
The canonical SMILES for (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid is CC(=O)N[C@@H](CCCN)C(=O)O.NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid?
The InChIKey is JUUUMFUBTHXSEN-FPAZSGHZSA-N. The full InChI is InChI=1S/C7H14N2O3.C5H12N2O2/c1-5(10)9-6(7(11)12)3-2-4-8;6-3-1-2-4(7)5(8)9/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12);4H,1-3,6-7H2,(H,8,9)/t6-;4-/m00/s1.
What are the key properties of (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid?
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid has a molecular weight of 306.36 g/mol, XLogP of -1.55, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid is sourced from PubChem (CID 159030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).