(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide

C11H21N3O3 — CID 141129031

IUPAC(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)CCCN
InChIInChI=1S/C11H21N3O3/c1-7(10(16)5-4-6-12)14-11(17)8(2)13-9(3)15/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeyVYEHMKVIBSZLQD-YUMQZZPRSA-N
MW243.31 g/mol
LogP-0.68
Rot. Bonds7

About (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide

(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide (PubChem CID 141129031) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
PubChem CID141129031
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)CCCN
InChIInChI=1S/C11H21N3O3/c1-7(10(16)5-4-6-12)14-11(17)8(2)13-9(3)15/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeyVYEHMKVIBSZLQD-YUMQZZPRSA-N
XLogP-0.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
(5S)-5-acetamido-4-oxohexanamide;ethane
CID 144964683
2-[2-[(2-acetamido-6-aminohexanoyl)amino]propanoylamino]propanoic acid
CID 4646439
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 102073607
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
CID 20680961
2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424311
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide (CID 141129031) is (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide is CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)CCCN.
What is the InChIKey of (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide?
The InChIKey is VYEHMKVIBSZLQD-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(10(16)5-4-6-12)14-11(17)8(2)13-9(3)15/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide?
(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide has a molecular weight of 243.31 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide is sourced from PubChem (CID 141129031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).