(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide

C11H22N4O3 — CID 87326635

IUPAC(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C(N)=O)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N4O3/c1-5(2)7(12)9(16)15(11(14)18)10(17)8(13)6(3)4/h5-8H,12-13H2,1-4H3,(H2,14,18)/t7-,8-/m0/s1
InChIKeyXOHFWKPFFRWPDM-YUMQZZPRSA-N
MW258.32 g/mol
LogP-0.61
Rot. Bonds4

About (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide

(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide (PubChem CID 87326635) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide
PubChem CID87326635
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C(N)=O)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N4O3/c1-5(2)7(12)9(16)15(11(14)18)10(17)8(13)6(3)4/h5-8H,12-13H2,1-4H3,(H2,14,18)/t7-,8-/m0/s1
InChIKeyXOHFWKPFFRWPDM-YUMQZZPRSA-N
XLogP-0.61
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide (CID 87326635) is (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide is CC(C)[C@H](N)C(=O)N(C(N)=O)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide?
The InChIKey is XOHFWKPFFRWPDM-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-5(2)7(12)9(16)15(11(14)18)10(17)8(13)6(3)4/h5-8H,12-13H2,1-4H3,(H2,14,18)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide?
(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide has a molecular weight of 258.32 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 87326635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).