(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide

C10H19N3O2 — CID 146174559

IUPAC(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide
SMILESC=C(CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C10H19N3O2/c1-5-6(2)12-10(15)8(4)13-9(14)7(3)11/h7-8H,2,5,11H2,1,3-4H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyJTDWCQBEKOWPSW-YUMQZZPRSA-N
MW213.28 g/mol
LogP-0.12
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 146174559) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide
PubChem CID146174559
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide
SMILESC=C(CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C10H19N3O2/c1-5-6(2)12-10(15)8(4)13-9(14)7(3)11/h7-8H,2,5,11H2,1,3-4H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyJTDWCQBEKOWPSW-YUMQZZPRSA-N
XLogP-0.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide (CID 146174559) is (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide is C=C(CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is JTDWCQBEKOWPSW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-6(2)12-10(15)8(4)13-9(14)7(3)11/h7-8H,2,5,11H2,1,3-4H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 213.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(but-1-en-2-ylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 146174559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).