(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide

C11H22N4O3 — CID 138591495

IUPAC(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide
SMILESCC(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H22N4O3/c1-7(16)14-8(5-4-6-12)9(17)15-11(2,3)10(13)18/h8H,4-6,12H2,1-3H3,(H2,13,18)(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyXBCYIRCOIWJBTN-QMMMGPOBSA-N
MW258.32 g/mol
LogP-1.39
Rot. Bonds7

About (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide

(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide (PubChem CID 138591495) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide
PubChem CID138591495
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide
SMILESCC(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H22N4O3/c1-7(16)14-8(5-4-6-12)9(17)15-11(2,3)10(13)18/h8H,4-6,12H2,1-3H3,(H2,13,18)(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyXBCYIRCOIWJBTN-QMMMGPOBSA-N
XLogP-1.39
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide (CID 138591495) is (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide is CC(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide?
The InChIKey is XBCYIRCOIWJBTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7(16)14-8(5-4-6-12)9(17)15-11(2,3)10(13)18/h8H,4-6,12H2,1-3H3,(H2,13,18)(H,14,16)(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide?
(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide has a molecular weight of 258.32 g/mol, XLogP of -1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide is sourced from PubChem (CID 138591495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).